Cas no 179406-59-8 (5-Isoxazolecarboxylic acid, 3-(2,6-dimethylphenyl)-, ethyl ester)
179406-59-8 structure
Product Name:5-Isoxazolecarboxylic acid, 3-(2,6-dimethylphenyl)-, ethyl ester
CAS No:179406-59-8
MF:C14H15NO3
MW:245.273803949356
CID:1369208
Update Time:2024-08-16
5-Isoxazolecarboxylic acid, 3-(2,6-dimethylphenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Isoxazolecarboxylic acid, 3-(2,6-dimethylphenyl)-, ethyl ester
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- Inchi： 1S/C14H15NO3/c1-4-17-14(16)12-8-11(15-18-12)13-9(2)6-5-7-10(13)3/h5-8H,4H2,1-3H3
- InChI Key： KEMHTOIDIZJXFU-UHFFFAOYSA-N
- SMILES： O1C(C(OCC)=O)=CC(C2=C(C)C=CC=C2C)=N1
Computed Properties
- Exact Mass: 245.10525
Experimental Properties
- Density: 1.126±0.06 g/cm3(Predicted)
- Boiling Point: 367.2±30.0 °C(Predicted)
- PSA: 52.33
- pka: -4.59±0.50(Predicted)
5-Isoxazolecarboxylic acid, 3-(2,6-dimethylphenyl)-, ethyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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